1H-pyrazole-5-carbohydrazide

C4H6N4O — CID 7147494

IUPAC1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1ccn[nH]1
InChIInChI=1S/C4H6N4O/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9)
InChIKeyVWOQOMNXHWAQMJ-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.99
Rot. Bonds1

About 1H-pyrazole-5-carbohydrazide

1H-pyrazole-5-carbohydrazide (PubChem CID 7147494) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1H-pyrazole-5-carbohydrazide
PubChem CID7147494
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1ccn[nH]1
InChIInChI=1S/C4H6N4O/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9)
InChIKeyVWOQOMNXHWAQMJ-UHFFFAOYSA-N
XLogP-0.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1H-pyrazole-5-carboxamide
CID 580973
1H-pyrazole-3-carbaldehyde
CID 12218383
N'-cyclopentylidene-1H-pyrazole-5-carbohydrazide
CID 763137
1H-Pyrazole-5-carboxamide
CID 15239624
2H,6H,7H-pyrazolo(3,4-d)pyridazin-7-one
CID 15451646
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
4-methyl-1H-pyrazole-3-carbohydrazide
CID 13405304
N'-propan-2-yl-1H-pyrazole-5-carbohydrazide
CID 90679861
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528
Amino-1h-pyrazolecarboxamide
CID 15152502

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carbohydrazide?
The IUPAC name of 1H-pyrazole-5-carbohydrazide (CID 7147494) is 1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 1H-pyrazole-5-carbohydrazide is NNC(=O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carbohydrazide?
The InChIKey is VWOQOMNXHWAQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9).
What are the key properties of 1H-pyrazole-5-carbohydrazide?
1H-pyrazole-5-carbohydrazide has a molecular weight of 126.12 g/mol, XLogP of -0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 7147494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).